N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-ethyl-N-prop-2-enyl-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-ethyl-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-ethyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-prop-2-enylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-ethyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]benzamide Formula: C27H28N2O4S MolecularWeight: 476.58722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C27H28N2O4S/c1-3-13-28(27(31)22-10-7-20(4-2)8-11-22)18-26(30)29(17-23-6-5-14-34-23)16-21-9-12-24-25(15-21)33-19-32-24/h3,5-12,14-15H,1,4,13,16-19H2,2H3